N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide

C14H17NO2 — CID 143732890

IUPACN-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(C)=C\CO)cc1
InChIInChI=1S/C14H17NO2/c1-11(9-10-16)3-4-13-5-7-14(8-6-13)15-12(2)17/h3-9,16H,10H2,1-2H3,(H,15,17)/b4-3+,11-9-
InChIKeyGWJWRFCGBKSWPA-XVRQLKFYSA-N
MW231.29 g/mol
LogP2.60
Rot. Bonds4

About N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide

N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide (PubChem CID 143732890) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
PubChem CID143732890
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(C)=C\CO)cc1
InChIInChI=1S/C14H17NO2/c1-11(9-10-16)3-4-13-5-7-14(8-6-13)15-12(2)17/h3-9,16H,10H2,1-2H3,(H,15,17)/b4-3+,11-9-
InChIKeyGWJWRFCGBKSWPA-XVRQLKFYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
CID 23455779
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
(E)-4-hydroxy-2-[(E)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethenyl]but-2-enoic acid
CID 87487765
(E)-3-(4-acetamidophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]prop-2-enamide
CID 46537448
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide (CID 143732890) is N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/C(C)=C\CO)cc1.
What is the InChIKey of N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide?
The InChIKey is GWJWRFCGBKSWPA-XVRQLKFYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(9-10-16)3-4-13-5-7-14(8-6-13)15-12(2)17/h3-9,16H,10H2,1-2H3,(H,15,17)/b4-3+,11-9-.
What are the key properties of N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide?
N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide has a molecular weight of 231.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide is sourced from PubChem (CID 143732890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).